4-hydroxymethyl-2-methoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside

Properties Image MNX_ID MNXM101971 reference chebi:68964 formula C19H28O12 global charge 0 mol weight 448.421 InChIKey CROSCHPQOAEYSN-OTCFHACESA-N InChI InChI=1S/C19H28O12/c1-27-11-4-9(5-20)2-3-10(11)30-17-15(24)14(23)13(22)12(31-17)6-28-18-16(25)19(26,7-21)8-29-18/h2-4,12-18,20-26H,5-8H2,1H3/t12-,13-,14+,15-,16+,17-,18-,19-/m1/s1 SMILES COC1=C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=CC(CO)=C1 MNX internals InChI (mnx) InChI=1/C19H28O12/c1-27-11-4-9(5-20)2-3-10(11)30-17-15(24)14(23)13(22)12(31-17)6-28-18-16(25)19(26,7-21)8-29-18/h2-4,12-18,20-26H,5-8H2,1H3/t12-,13-,14+,15-,16+,17-,18-,19-/m1/s1 SMILES (mnx) [CH3:1][O:27][C:11]1=[C:10]([O:30][C@H:17]2[C@H:15]([OH:24])[C@@H:14]([OH:23])[C@H:13]([OH:22])[C@@H:12]([CH2:6][O:28][C@H:18]3[C@H:16]([OH:25])[C@:19]([CH2:7][OH:21])([OH:26])[CH2:8][O:29]3)[O:31]2)[CH:3]=[CH:2][C:9]([CH2:5][OH:20])=[CH:4]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0